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β-Hydroxy fentanyl hydrochloride

View entire compound with spectra: 1 Raman

β-Hydroxy fentanyl hydrochloride
SpectraBase Compound ID ISl3RJBPIrg
InChI InChI=1S/C22H28N2O2.ClH/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)17-21(25)18-9-5-3-6-10-18;/h3-12,20-21,25H,2,13-17H2,1H3;1H
InChIKey NTUISTSMMNDSGF-UHFFFAOYSA-N
Mol Weight 388.94 g/mol
Molecular Formula C22H29ClN2O2
Exact Mass 388.191756 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID B4KV2gdIujO
Name β-Hydroxy fentanyl hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.191755880 u
Formula C22H29ClN2O2
InChI InChI=1S/C22H28N2O2.ClH/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)17-21(25)18-9-5-3-6-10-18;/h3-12,20-21,25H,2,13-17H2,1H3;1H
InChIKey NTUISTSMMNDSGF-UHFFFAOYSA-N
Molecular Weight 388.939 g/mol
SMILES OC(C1=CC=CC=C1)CN1CCC(CC1)N(C=1C=CC=CC1)C(CC)=O.Cl
Spectrum/Structure Validation Score (Raman) 0.987824